Iron in PDB 5l1u: X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F

All present enzymatic activity of X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F:
1.14.19.8;

The structure of X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1u was solved by L.Duan, G.Jogl, D.E.Cane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.50 / 2.07
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.623, 163.860, 82.217, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 18.4

The binding sites of Iron atom in the X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F (pdb code 5l1u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1u:

Iron binding site 1 out of 1 in the X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of M81A Mutant of Cytochrome P450 Pntm with Pentalenolactone F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:12.2 occ:1.00 FE A:HEM402 0.0 12.2 1.0 ND A:HEM402 2.1 9.8 1.0 NC A:HEM402 2.1 11.7 1.0 NB A:HEM402 2.1 8.3 1.0 NA A:HEM402 2.1 7.2 1.0 SG A:CYS347 2.5 10.8 1.0 C1C A:HEM402 3.1 7.6 1.0 C4C A:HEM402 3.1 9.5 1.0 C1D A:HEM402 3.1 9.5 1.0 C4B A:HEM402 3.1 7.7 1.0 C4D A:HEM402 3.1 11.6 1.0 C1A A:HEM402 3.1 7.9 1.0 C4A A:HEM402 3.1 7.2 1.0 C1B A:HEM402 3.1 8.8 1.0 CB A:CYS347 3.2 6.6 1.0 O A:HOH584 3.4 14.5 1.0 CHC A:HEM402 3.4 9.6 1.0 CHD A:HEM402 3.4 7.0 1.0 CHA A:HEM402 3.5 11.8 1.0 CHB A:HEM402 3.5 9.0 1.0 CA A:CYS347 4.0 7.8 1.0 C3C A:HEM402 4.3 9.8 1.0 C2C A:HEM402 4.3 8.6 1.0 C2D A:HEM402 4.3 11.4 1.0 C3D A:HEM402 4.3 9.7 1.0 C3B A:HEM402 4.3 12.9 1.0 C3A A:HEM402 4.3 10.7 1.0 C2A A:HEM402 4.3 12.5 1.0 C2B A:HEM402 4.3 10.0 1.0 N A:ILE348 4.6 9.5 1.0 C A:CYS347 4.6 7.8 1.0 C1 A:7PF401 4.6 9.9 1.0 N A:GLY349 4.7 9.2 1.0 O A:PHE232 4.7 10.2 1.0

L.Duan, G.Jogl, D.E.Cane. The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc. V. 138 12678 2016.
ISSN: ESSN 1520-5126
PubMed: 27588339
DOI: 10.1021/JACS.6B08610